5Y9A

Crystal structure of the complex of peptidyl tRNA hydrolase with a phosphate ion at the substrate binding site and cytarabine at a new ligand binding site at 1.1 A resolution

Replaces:  4LWR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-23
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	34.000, 66.160, 76.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.850 - 1.100
R-factor	0.12712
Rwork	0.125
R-free	0.15930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4LWR
RMSD bond length	0.029
RMSD bond angle	2.166
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.850	1.160
High resolution limit [Å]	1.100	1.100
Number of reflections	68259
<I/σ(I)>	13.3
Completeness [%]	96.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	HEPES, PEG 400, PEG 1500, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K