1A7B

ENGINEERING A MISFOLDED FORM OF CD2

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	64.270, 80.030, 80.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.100
R-factor	0.2389
Rwork	0.239
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hng
RMSD bond length	0.005
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.150
High resolution limit [Å]	2.000	2.080
Rmerge	0.059	0.295
Number of reflections	10589
<I/σ(I)>	16.1	2.57
Completeness [%]	99.1	99
Redundancy	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		2M AMMONIUM SULFATE 2% PEG 400, 0.1M HEPES, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2 (M)
2	1	reservoir	PEG400	2 (%)
3	1	reservoir	glycerol	10 (%)
4	1	reservoir	NaHEPES	0.1 (M)