1A28

HORMONE-BOUND HUMAN PROGESTERONE RECEPTOR LIGAND-BINDING DOMAIN

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-09-12
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	58.123, 64.444, 69.954
Unit cell angles	90.00, 95.74, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.1905
Rwork	0.191
R-free	0.22790 *
Structure solution method	MAD, MIR
RMSD bond length	0.008
RMSD bond angle	1.393 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	DPHASE
Refinement software	CNS (0.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.055
Number of reflections	42976
<I/σ(I)>	18.3	3.4
Completeness [%]	93.2	95.9
Redundancy	3.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	4 *	PROTEIN WAS CRYSTALLIZED FROM 2% PEG 4000, 50 MM PIPES PH 6.5, 350 MM LI2SO4, THEN STABILIZED IN THE SAME BUFFER WITH 21% ETHYLENE GLYCOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	6.7 (mM)
10	1	drop	PEG4000	0.7 (%)
11	1	reservoir	PIPES	50 (mM)
12	1	reservoir		350 (mM)
13	1	reservoir	PEG4000	2 (%)
14	1	reservoir	glycerol	10 (%)
2	1	drop	glycerol	10 (%)
3	1	drop	dithiothreitol	3.3 (mM)
4	1	drop	beta-octylglucoside	0.06 (%)
5	1	drop	progesterone	6.7 (nM)
6	1	drop		93 (mM)
7	1	drop	protein	4 (mg/ml)
8	1	drop	PIPES	17 (mM)
9	1	drop		117 (mM)