3CCD

1.0 A Structure of Post-Succinimide His15Asp HPr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-26
Detector	ADSC QUANTUM 4
Wavelength(s)	.9984
Spacegroup name	P 1 21 1
Unit cell lengths	33.658, 42.299, 48.297
Unit cell angles	90.00, 89.95, 90.00

Refinement procedure

Resolution	26.330 - 1.000
R-factor	0.19152
Rwork	0.191
R-free	0.20502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1opd
RMSD bond length	0.006
RMSD bond angle	1.193
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	1.060
High resolution limit [Å]	1.000	1.000
Number of reflections	73053
<I/σ(I)>	16	4
Completeness [%]	71.0	23
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	287	0.1M citrate phosphate buffer, 25% saturated ammonium sulphate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 287K