1GQF

Crystal structure of human procaspase-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-23
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	90.210, 90.210, 183.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.760 * - 2.900
R-factor	0.268
Rwork	0.268
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f1j
RMSD bond length	0.011 *
RMSD bond angle	1.330 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.760	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.068	0.386
Total number of observations	180534 *
Number of reflections	19487
Completeness [%]	99.1	99.1
Redundancy	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.6	20 *	50 MM MES, PH 5.6, 10 MM MAGNESIUM CHLORIDE, 100 MM AMMONIUM SULFATE, 20% (W/V) PEG 8000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	procaspase-7 solution	8 (mg/ml)
2	1	drop	ammonium sulfate solution	100 (mM)
3	1	reservoir	MES	50 (mM)	pH5.6
4	1	reservoir	ammonium sulfate	100 (mM)
5	1	reservoir		10 (mM)
6	1	reservoir	PEG8000	20 (%)